Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL5327784

CC(C)Oc1ccc(F)cc1N1CCN(CC(=O)CN2C(=O)C3CC(O)C(O)CC3C2=O)CC1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.42

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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 4)

geneUniProtsupporting neighboursconfidence
ADRA1D known ✓ P25100 11/20 0.42
ADRA1A known ✓ P35348 11/20 0.42
ADRA1B known ✓ P35368 7/20 0.42
DRD2 P14416 2/20 0.38

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
SCHEMBL4535917 0.95 ADRA1D (0.45) ADRA1DADRA1AADRA1BDRD2
Hydrochloric Acid SCHEMBL4535527 0.94 ADRA1D (0.44) ADRA1DADRA1AADRA1BDRD2
Succinic Acid SCHEMBL5328590 0.92 ADRA1D (0.42) ADRA1DADRA1AADRA1B
Maleic Acid SCHEMBL5325181 0.92 ADRA1D (0.42) ADRA1DADRA1AADRA1BDRD2
Fumaric Acid SCHEMBL5325185 0.92 ADRA1D (0.42) ADRA1DADRA1AADRA1BDRD2
Phosphoric Acid SCHEMBL5330883 0.91 ADRA1D (0.43) ADRA1DADRA1AADRA1BDRD2
Cadaverine Tartrate SCHEMBL5332836 0.88 DRD2 (0.44) ADRA1DADRA1AADRA1BDRD2
Cadaverine Tartrate SCHEMBL5330974 0.88 ADRA1D (0.44) ADRA1DADRA1AADRA1BDRD2
Cadaverine Tartrate SCHEMBL5328277 0.87 MEN1 (0.36) ADRA1DADRA1AADRA1BDRD2
SCHEMBL5330901 0.86 ADRA1A (0.41) ADRA1DADRA1AADRA1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007010504-A2 ACID ADDITION SALTS OF ISOINDOLES ACTING AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-25 WO disclosed