Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL3634786

CC(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.51

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
EPHX2 P34913 1/20 0.51
PPARG P37231 1/20 0.51
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
KMT2A Q03164 1/20 0.48
LSS P48449 1/20 0.47
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
TPH1 P17752 2/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK14 Q16539 1/20 0.45
AKR1C3 P42330 1/20 0.45
MTOR P42345 1/20 0.45
PPARD Q03181 1/20 0.45

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
SCHEMBL3630497 0.90 LSS (0.55) PPARAEPHX2PPARGKMT2ALSS
Trifluoroacetic Acid SCHEMBL3631651 0.87 KMT2A (0.51) PPARAEPHX2PPARGKMT2ALSS
SCHEMBL2629356 0.85 LSS (0.59) PPARAEPHX2PPARGKMT2ALSS
Cadaverine Tartrate SCHEMBL9937385 0.83 KMT2A (0.53) PPARAEPHX2PPARGADAMTS4MMP13
Cadaverine Tartrate SCHEMBL9938548 0.83 KMT2A (0.55) ADAMTS4MMP13KMT2AHDAC1HDAC3
Cadaverine Tartrate SCHEMBL9938634 0.83 KMT2A (0.53) ADAMTS4MMP13KMT2AHDAC1HDAC3
SCHEMBL5926892 0.81 EPHX2 (0.57) PPARAEPHX2PPARGLSSHDAC1
Cadaverine Tartrate SCHEMBL9936743 0.81 ADAMTS4 (0.53) ADAMTS4MMP13KMT2AHDAC1HDAC3
Cadaverine Tartrate SCHEMBL3633165 0.78 ADAMTS4 (0.48) ADAMTS4MMP13KMT2AHDAC1HDAC3
SCHEMBL5926895 0.77 MTTP (0.48) PPARAEPHX2PPARGLSSHDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651403-A2 USE OF LP-PLA2 INHIBITORS IN THE TREATMENT AND PREVENTION OF EYE DISEASES Glaxo Group Limited (GB) 2013-10-23 EP disclosed
WO-2012080497-A2 METHODS OF TREATMENT AND PREVENTION OF EYE DISEASES GLAXO GROUP LIMITED (GB) 2012-06-21 WO disclosed
EP-2152865-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2010-02-17 EP disclosed
WO-2008140449-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008140450-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed