Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL1801685

CN1CC2CN(c3ccc(-c4cccc(C(F)(F)F)c4)nc3)CC2C1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.76

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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 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA7 P36544 2/20 0.58
CHRNA4 P43681 2/20 0.58
KDM1A O60341 5/20 0.43
MAOB P27338 5/20 0.43
MAOA P21397 4/20 0.43
DHODH Q02127 1/20 0.42
KMO O15229 2/20 0.40

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
Cadaverine Tartrate SCHEMBL1801687 1.00 CHRNB2 (0.58) CHRNB2CHRNA7CHRNA4KDM1AMAOB
SCHEMBL929227 0.90 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4KDM1AMAOB
Cadaverine Tartrate SCHEMBL1792404 0.86 CHRNA7 (0.79) CHRNB2CHRNA7CHRNA4
Cadaverine Tartrate SCHEMBL1792402 0.86 CHRNA7 (0.79) CHRNB2CHRNA7CHRNA4
Trifluoroacetic Acid SCHEMBL6323991 0.80 CHRNB2 (0.61) CHRNB2CHRNA7CHRNA4KDM1AMAOB
SCHEMBL6329173 0.79 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4KDM1AMAOB
SCHEMBL929300 0.78 CHRNA7 (0.67) CHRNB2CHRNA7CHRNA4KDM1AMAOB
SCHEMBL928224 0.77 CHRNA7 (0.82) CHRNB2CHRNA7CHRNA4
SCHEMBL928223 0.75 CHRNA7 (1.00) CHRNB2CHRNA7CHRNA4
SCHEMBL928803 0.75 CHRNB2 (0.63) CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
CN-101189233-A Substituted diazabicycloalkane derivatives as ligands for the alpha 7 nicotinic acetylcholine receptor ABBOTT LAB (US) 2008-05-28 CN disclosed