Tacedinaline

Tacedinaline

SCHEMBL248074

CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9

The experimentally established mechanism targets of Tacedinaline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 known ✓ Q13547 18/20 0.66
HDAC3 known ✓ O15379 4/20 0.66
HDAC2 known ✓ Q92769 4/20 0.66
NCOR2 Q9Y618 2/20 0.66
PTGS1 P23219 1/20 0.63
MAPK1 P28482 1/20 0.60
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tacedinaline SCHEMBL144794 0.91 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2PTGS1
Tacedinaline SCHEMBL29482198 0.91 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2PTGS1
Tacedinaline SCHEMBL20855566 0.86 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2MAPK1
Trifluoroacetic Acid SCHEMBL3600531 0.85 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2PTGS1
SCHEMBL1064630 0.84 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2PTGS1
SCHEMBL1064283 0.80 HDAC1 (0.79) HDAC1HDAC3HDAC2NCOR2
Trifluoroacetic Acid SCHEMBL20592212 0.79 PTGS1 (0.53) HDAC1HDAC3HDAC2NCOR2PTGS1
SCHEMBL8401704 0.78 HDAC1 (0.89) HDAC1HDAC3HDAC2NCOR2PTGS1
SCHEMBL15550450 0.78 HDAC1 (0.72) HDAC1HDAC3HDAC2NCOR2PTGS1
SCHEMBL1754073 0.78 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266822-B2 Solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2016-02-23 US disclosed
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2014-09-18 US disclosed
US-8729130-B2 Methods of using novel solid forms of tacedinaline THE BROAD INSTITUTE, INC. (US) 2014-05-20 US disclosed
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-06-13 US disclosed
US-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2013-04-25 US disclosed
WO-2012003413-A1 NOVEL SOLID FORMS OF TACEDINALINE THE BROAD INSTITUTE, INC. (US) 2012-01-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130102677-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 HDAC1 101/4885HDAC3 149/4885HDAC2 250/4885
US-20130150450-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, SLC10A1, ACAT2 HDAC1 101/4885HDAC3 149/4885HDAC2 250/4885
US-20140275268-A1 NOVEL SOLID FORMS OF TACEDINALINE ACSS2, FAM162A, ACAT2 HDAC1 82/4885HDAC3 169/4885HDAC2 186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.